[3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone

C19H18ClN5O — CID 135300449

IUPAC[3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESNc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1Cl
InChIInChI=1S/C19H18ClN5O/c20-14-8-13(10-23-18(14)21)17-11-22-15-5-4-12(9-16(15)24-17)19(26)25-6-2-1-3-7-25/h4-5,8-11H,1-3,6-7H2,(H2,21,23)
InChIKeyLXQXCCWKNCFGFK-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.55
Rot. Bonds2

About [3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone

[3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135300449) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is [3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID135300449
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name[3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESNc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1Cl
InChIInChI=1S/C19H18ClN5O/c20-14-8-13(10-23-18(14)21)17-11-22-15-5-4-12(9-16(15)24-17)19(26)25-6-2-1-3-7-25/h4-5,8-11H,1-3,6-7H2,(H2,21,23)
InChIKeyLXQXCCWKNCFGFK-UHFFFAOYSA-N
XLogP3.55
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 135300449) is [3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone is Nc1ncc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1Cl.
What is the InChIKey of [3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is LXQXCCWKNCFGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-14-8-13(10-23-18(14)21)17-11-22-15-5-4-12(9-16(15)24-17)19(26)25-6-2-1-3-7-25/h4-5,8-11H,1-3,6-7H2,(H2,21,23).
What are the key properties of [3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 367.84 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-amino-5-chloro-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).